2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide

C9H15N3O — CID 130716283

IUPAC2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)11-9(13)4-8-5-10-12(3)6-8/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyVAGKKRAKAGDPMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide

2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 130716283) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
PubChem CID130716283
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)11-9(13)4-8-5-10-12(3)6-8/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyVAGKKRAKAGDPMT-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 119358246
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide (CID 130716283) is 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is VAGKKRAKAGDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)11-9(13)4-8-5-10-12(3)6-8/h5-7H,4H2,1-3H3,(H,11,13).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide?
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 130716283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).